#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfs n SER 2 N 0.00 1.97 -4.55 1.61 2.88 -1.26 -4.92 113.62 109.35 1wfs n SER 2 Ca 0.00 0.14 -0.53 0.00 -1.33 0.00 0.00 58.87 57.15 1wfs n SER 2 Cb 0.00 -0.66 -0.07 0.00 -0.75 0.00 0.00 64.21 62.73 1wfs n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wfs n SER 3 N -3.81 2.34 0.00 -3.46 3.41 -1.26 -4.74 113.62 106.10 1wfs n SER 3 Ca -0.49 0.71 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1wfs n SER 3 Cb 0.93 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1wfs n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfs n GLY 4 N 5.57 3.41 3.02 5.00 0.00 -1.26 -5.15 105.19 115.78 1wfs n GLY 4 Ca 0.35 -1.63 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 1wfs n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfs s SER 5 N 0.00 0.36 0.27 1.61 0.15 -1.26 -5.17 113.70 109.66 1wfs s SER 5 Ca 0.00 -0.68 -0.05 0.00 0.70 0.00 0.00 55.95 55.92 1wfs s SER 5 Cb 0.00 0.13 -0.01 0.00 -1.71 0.00 0.00 66.02 64.43 1wfs s SER 5 CO 0.00 -0.40 0.37 -0.94 1.20 0.00 0.00 173.24 173.47 1wfs s SER 6 N -1.98 0.40 0.00 5.45 1.04 -1.26 -5.13 113.70 112.22 1wfs s SER 6 Ca -0.08 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.07 1wfs s SER 6 Cb -0.04 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1wfs s SER 6 CO -0.04 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.69 1wfs n GLY 7 N -0.42 0.25 3.89 7.32 0.00 -1.26 -5.14 105.19 109.83 1wfs n GLY 7 Ca 0.01 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1wfs n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfs s SER 8 N 1.27 6.30 -0.94 1.61 0.15 -1.26 -5.03 113.70 115.80 1wfs s SER 8 Ca 0.00 1.11 -0.05 0.00 0.70 0.00 0.00 55.95 57.71 1wfs s SER 8 Cb 0.00 -2.33 0.24 0.00 -1.71 0.00 0.00 66.02 62.22 1wfs s SER 8 CO 0.00 -0.63 0.87 -0.62 1.20 0.00 0.00 173.24 174.06 1wfs s ASP 9 N -3.95 6.43 -0.29 5.45 2.15 -1.26 -4.98 116.67 120.22 1wfs s ASP 9 Ca 0.50 -3.56 -0.24 0.00 0.43 0.00 0.00 52.55 49.68 1wfs s ASP 9 Cb -0.10 -2.02 0.16 0.00 -0.30 0.00 0.00 42.92 40.66 1wfs s ASP 9 CO 0.45 -0.25 1.26 -0.44 -0.17 0.00 0.00 175.17 176.02 1wfs s SER 10 N 0.53 -0.22 0.21 -0.34 0.01 -1.26 -5.19 113.70 107.45 1wfs s SER 10 Ca 0.27 0.41 0.03 0.00 1.31 0.00 0.00 55.95 57.97 1wfs s SER 10 Cb -0.09 0.49 -0.01 0.00 0.21 0.00 0.00 66.02 66.62 1wfs s SER 10 CO -0.10 -0.07 0.10 0.18 0.41 0.00 0.00 173.24 173.75 1wfs n LEU 11 N 2.01 0.00 -2.48 2.44 4.77 -1.26 -5.05 117.00 117.43 1wfs n LEU 11 Ca -0.12 -1.69 -0.32 0.00 -0.03 0.00 0.00 56.01 53.85 1wfs n LEU 11 Cb 0.56 0.64 0.04 0.00 -2.33 0.00 0.00 43.42 42.34 1wfs n LEU 11 CO 0.02 -0.27 1.47 0.55 -1.33 0.00 0.00 177.39 177.83 1wfs n VAL 12 N -0.46 3.44 -1.32 4.08 3.14 -1.26 -5.01 118.33 120.94 1wfs n VAL 12 Ca -0.01 -3.18 -0.46 0.00 -2.96 0.00 0.00 64.34 57.73 1wfs n VAL 12 Cb 0.33 -1.28 -0.03 0.00 -1.06 0.00 0.00 33.84 31.79 1wfs n VAL 12 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1wfs n VAL 13 N -0.31 1.76 -4.36 1.55 3.14 -1.26 -4.80 118.33 114.05 1wfs n VAL 13 Ca 0.53 -0.44 -0.23 0.00 -2.96 0.00 0.00 64.34 61.23 1wfs n VAL 13 Cb 0.49 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.19 1wfs n VAL 13 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wfs s GLU 15 N -3.62 1.68 -0.60 0.00 0.41 -1.09 -4.78 118.70 110.69 1wfs s GLU 15 Ca 0.31 -0.47 -0.13 0.00 -0.41 0.00 0.00 54.97 54.27 1wfs s GLU 15 Cb -0.05 -2.11 0.15 0.00 -1.78 0.00 0.00 34.13 30.34 1wfs s GLU 15 CO 0.18 -1.60 0.53 0.54 -0.49 0.00 0.00 175.26 174.43 1wfs s VAL 16 N -3.40 5.00 0.16 2.63 0.11 -1.26 -0.33 120.40 123.30 1wfs s VAL 16 Ca 0.65 -1.90 -0.21 0.00 -2.93 0.00 0.00 61.98 57.59 1wfs s VAL 16 Cb -0.08 -4.19 -0.13 0.00 -1.53 0.00 0.00 36.38 30.45 1wfs s VAL 16 CO 0.47 -0.89 0.39 -0.67 -3.33 0.00 0.00 175.10 171.07 1wfs n ASP 17 N 4.74 -1.02 0.11 3.54 -0.08 -0.71 -4.64 116.55 118.49 1wfs n ASP 17 Ca -0.04 0.86 -0.02 0.00 -1.51 0.00 0.00 54.79 54.08 1wfs n ASP 17 Cb 0.42 -0.73 0.21 0.00 2.34 0.00 0.00 41.12 43.36 1wfs n ASP 17 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1wfs h PRO 18 N 0.75 0.19 0.00 -0.67 0.13 -1.96 -0.98 132.00 129.45 1wfs h PRO 18 Ca -0.22 -0.10 -0.07 0.00 -0.87 0.00 0.00 66.00 64.74 1wfs h PRO 18 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1wfs h PRO 18 CO 0.44 0.62 -0.36 1.05 -0.23 0.00 0.00 178.00 179.52 1wfs h GLU 19 N 0.15 0.00 0.03 0.86 -0.00 -1.95 -3.28 114.58 110.39 1wfs h GLU 19 Ca 0.01 0.00 -0.21 0.00 -0.00 0.00 0.00 59.36 59.16 1wfs h GLU 19 Cb 0.89 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.62 1wfs h GLU 19 CO 0.07 0.36 -1.11 1.25 -0.00 0.00 0.00 179.01 179.57 1wfs h LEU 20 N 0.00 0.08 -0.73 3.06 6.46 -1.83 -3.34 115.31 119.01 1wfs h LEU 20 Ca -0.00 -0.67 0.22 0.00 -0.12 0.00 0.00 57.88 57.30 1wfs h LEU 20 Cb 0.86 -0.03 -0.14 0.00 -0.73 0.00 0.00 40.66 40.63 1wfs h LEU 20 CO 0.05 1.45 0.06 1.17 -0.62 0.00 0.00 178.44 180.55 1wfs n LYS 21 N -4.33 -0.06 -0.07 1.25 4.81 -0.39 0.19 118.16 119.57 1wfs n LYS 21 Ca -0.27 1.09 -0.11 0.00 -0.87 0.00 0.00 58.31 58.14 1wfs n LYS 21 Cb 0.70 -1.76 -0.05 0.00 0.02 0.00 0.00 35.03 33.95 1wfs n LYS 21 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1wfs h GLU 22 N 0.00 0.36 -0.98 1.64 5.08 -1.73 -2.83 114.58 116.13 1wfs h GLU 22 Ca 0.47 -0.10 0.31 0.00 -1.00 0.00 0.00 59.36 59.04 1wfs h GLU 22 Cb 1.01 -0.04 -0.15 0.00 0.50 0.00 0.00 28.75 30.07 1wfs h GLU 22 CO -0.68 0.53 0.48 1.15 -1.00 0.00 0.00 179.01 179.49 1wfs h THR 23 N 0.14 0.26 0.23 1.13 2.02 0.20 0.17 112.91 117.05 1wfs h THR 23 Ca 0.06 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1wfs h THR 23 Cb 0.36 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1wfs h THR 23 CO 0.01 0.05 -0.11 -0.07 0.37 0.00 0.00 175.52 175.77 1wfs h LEU 24 N 0.26 -0.26 -1.90 2.58 3.38 -1.32 0.34 115.31 118.39 1wfs h LEU 24 Ca 0.71 -0.27 0.22 0.00 0.09 0.00 0.00 57.88 58.63 1wfs h LEU 24 Cb 1.60 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.38 1wfs h LEU 24 CO -0.64 0.22 0.58 -0.09 0.09 0.00 0.00 178.44 178.59 1wfs h ARG 25 N -0.84 0.08 0.12 1.13 2.43 -0.85 -0.68 114.38 115.78 1wfs h ARG 25 Ca -0.03 -0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.92 1wfs h ARG 25 Cb 0.51 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1wfs h ARG 25 CO 0.05 0.05 -1.02 0.87 -1.51 0.00 0.00 179.97 178.42 1wfs h LYS 26 N 0.08 0.26 -0.79 0.20 1.57 -0.70 -3.24 116.57 113.95 1wfs h LYS 26 Ca 0.39 -0.45 0.10 0.00 -1.87 0.00 0.00 60.65 58.82 1wfs h LYS 26 Cb 1.44 0.17 -0.07 0.00 0.08 0.00 0.00 32.23 33.85 1wfs h LYS 26 CO -0.04 1.22 0.43 0.35 -0.57 0.00 0.00 179.45 180.84 1wfs h PHE 27 N -0.38 0.78 0.00 -1.35 3.57 0.46 1.57 116.94 121.58 1wfs h PHE 27 Ca -0.20 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.29 1wfs h PHE 27 Cb 1.66 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.16 1wfs h PHE 27 CO 0.17 0.29 -0.18 0.00 -2.23 0.00 0.00 178.31 176.36 1wfs h ARG 28 N 0.72 0.00 -0.65 1.11 3.08 -1.31 -3.06 114.38 114.26 1wfs h ARG 28 Ca 0.39 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 60.03 1wfs h ARG 28 Cb 0.40 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.03 1wfs h ARG 28 CO -0.27 0.18 -0.96 1.19 -1.07 0.00 0.00 179.97 179.05 1wfs n PHE 29 N -3.76 2.07 -1.46 3.04 3.72 0.27 -5.09 117.46 116.25 1wfs n PHE 29 Ca -0.02 -2.24 -0.30 0.00 -0.05 0.00 0.00 57.45 54.85 1wfs n PHE 29 Cb 0.29 -0.28 0.11 0.00 -0.94 0.00 0.00 39.48 38.66 1wfs n PHE 29 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1wfs s ARG 30 N -3.67 1.73 -0.31 -1.08 1.70 0.51 -4.90 118.95 112.93 1wfs s ARG 30 Ca 0.40 0.63 0.01 0.00 -0.47 0.00 0.00 55.73 56.30 1wfs s ARG 30 Cb 0.37 -1.88 0.34 0.00 -0.57 0.00 0.00 34.95 33.22 1wfs s ARG 30 CO -0.00 -1.87 1.72 1.63 -1.08 0.00 0.00 175.30 175.69 1wfs n LYS 31 N -3.60 1.82 -4.19 3.89 4.01 -1.26 -4.90 118.16 113.93 1wfs n LYS 31 Ca 0.07 -1.82 -0.27 0.00 -0.51 0.00 0.00 58.31 55.78 1wfs n LYS 31 Cb 0.56 -1.71 -0.05 0.00 -0.51 0.00 0.00 35.03 33.32 1wfs n LYS 31 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1wfs s GLU 32 N -2.04 2.23 0.00 1.97 2.02 -1.26 -5.06 118.70 116.55 1wfs s GLU 32 Ca 0.35 -2.05 0.10 0.00 0.02 0.00 0.00 54.97 53.39 1wfs s GLU 32 Cb 0.29 -1.91 0.16 0.00 0.10 0.00 0.00 34.13 32.76 1wfs s GLU 32 CO 0.04 -0.36 0.99 0.25 0.02 0.00 0.00 175.26 176.19 1wfs n THR 33 N -1.44 0.00 -4.43 3.63 -2.24 -1.26 -5.12 114.28 103.42 1wfs n THR 33 Ca -0.06 -0.37 -0.20 0.00 -2.27 0.00 0.00 64.05 61.15 1wfs n THR 33 Cb 0.65 0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 69.44 1wfs n THR 33 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1wfs n ASN 34 N 0.18 1.92 -4.70 3.42 6.94 -1.26 -5.08 115.26 116.68 1wfs n ASN 34 Ca -0.05 -2.54 -0.41 0.00 -0.02 0.00 0.00 54.58 51.56 1wfs n ASN 34 Cb 0.84 0.52 -0.04 0.00 -2.36 0.00 0.00 39.78 38.74 1wfs n ASN 34 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1wfs s ASN 35 N -2.84 7.09 0.05 0.53 0.01 -1.26 -4.88 114.94 113.65 1wfs s ASN 35 Ca 0.08 1.33 0.01 0.00 -0.71 0.00 0.00 52.86 53.57 1wfs s ASN 35 Cb 0.00 -2.48 -0.03 0.00 0.41 0.00 0.00 41.25 39.15 1wfs s ASN 35 CO 0.06 -0.28 -0.05 0.00 -1.51 0.00 0.00 177.10 175.31 1wfs s ALA 36 N 1.45 0.57 0.08 0.60 0.00 -1.16 -0.16 121.76 123.13 1wfs s ALA 36 Ca 0.42 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 51.45 1wfs s ALA 36 Cb -0.18 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 1wfs s ALA 36 CO 0.18 -0.19 -0.15 0.00 0.00 0.00 0.00 175.76 175.61 1wfs s ALA 37 N -2.58 1.23 -0.19 0.00 0.00 0.66 -0.04 121.76 120.83 1wfs s ALA 37 Ca -0.02 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 50.89 1wfs s ALA 37 Cb -0.02 -0.11 0.06 0.00 0.00 0.00 0.00 23.12 23.05 1wfs s ALA 37 CO -0.04 0.18 0.02 0.42 0.00 0.00 0.00 175.76 176.34 1wfs s ILE 38 N -1.30 0.64 -0.27 0.00 1.01 -0.27 -1.29 121.20 119.72 1wfs s ILE 38 Ca -0.01 -0.62 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 1wfs s ILE 38 Cb -0.10 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 1wfs s ILE 38 CO 0.02 -0.18 0.34 -0.63 0.00 0.00 0.00 174.94 174.49 1wfs s ILE 39 N 1.80 5.20 0.06 2.92 1.01 -0.27 -0.02 121.20 131.90 1wfs s ILE 39 Ca -0.01 0.48 0.08 0.00 0.00 0.00 0.00 60.65 61.19 1wfs s ILE 39 Cb -0.17 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1wfs s ILE 39 CO -0.08 0.17 -0.19 -0.04 0.00 0.00 0.00 174.94 174.81 1wfs s MET 40 N 2.01 1.99 0.46 2.79 -1.94 0.11 -0.28 119.30 124.44 1wfs s MET 40 Ca 0.13 -1.03 0.03 0.00 -1.71 0.00 0.00 55.69 53.11 1wfs s MET 40 Cb -0.16 -2.15 -0.03 0.00 2.01 0.00 0.00 34.83 34.50 1wfs s MET 40 CO 0.10 0.53 0.04 -1.59 -0.01 0.00 0.00 175.02 174.09 1wfs s LYS 41 N -1.55 2.08 -0.13 2.03 -2.85 -0.05 -0.14 119.74 119.12 1wfs s LYS 41 Ca 0.15 -2.29 0.01 0.00 -1.00 0.00 0.00 55.97 52.84 1wfs s LYS 41 Cb -0.10 -1.28 0.02 0.00 -2.06 0.00 0.00 37.83 34.41 1wfs s LYS 41 CO 0.06 -0.35 -0.16 0.54 0.10 0.00 0.00 175.35 175.55 1wfs s VAL 42 N -2.96 1.60 -0.23 1.79 0.11 -1.26 0.32 120.40 119.77 1wfs s VAL 42 Ca 0.15 -0.68 -0.27 0.00 -2.93 0.00 0.00 61.98 58.25 1wfs s VAL 42 Cb 0.03 -1.48 0.00 0.00 -1.53 0.00 0.00 36.38 33.40 1wfs s VAL 42 CO 0.08 0.46 0.94 -1.81 -3.33 0.00 0.00 175.10 171.44 1wfs s ASP 43 N 1.22 6.98 0.36 3.54 1.01 -0.85 -4.91 116.67 124.03 1wfs s ASP 43 Ca -0.01 1.23 0.27 0.00 0.71 0.00 0.00 52.55 54.75 1wfs s ASP 43 Cb -0.14 -2.49 1.17 0.00 1.01 0.00 0.00 42.92 42.47 1wfs s ASP 43 CO -0.06 -0.59 1.81 0.50 0.21 0.00 0.00 175.17 177.04 1wfs h LYS 44 N 7.53 0.00 0.19 8.23 3.11 -1.96 0.84 116.57 134.51 1wfs h LYS 44 Ca -0.21 0.00 -0.32 0.00 -2.81 0.00 0.00 60.65 57.31 1wfs h LYS 44 Cb 1.08 0.00 0.03 0.00 -1.00 0.00 0.00 32.23 32.34 1wfs h LYS 44 CO 0.92 0.00 -1.37 0.22 -2.81 0.00 0.00 179.45 176.41 1wfs h ASP 45 N 0.00 0.79 -0.31 4.20 3.58 -1.97 -3.32 116.42 119.38 1wfs h ASP 45 Ca 0.00 -0.80 0.00 0.00 0.42 0.00 0.00 57.03 56.65 1wfs h ASP 45 Cb 0.35 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.15 1wfs h ASP 45 CO 0.00 1.62 0.00 0.54 -2.88 0.00 0.00 179.24 178.52 1wfs n ARG 46 N -3.71 2.65 -3.75 0.28 1.74 -1.04 -4.98 116.66 107.84 1wfs n ARG 46 Ca -0.14 -1.96 -0.23 0.00 -0.77 0.00 0.00 57.85 54.75 1wfs n ARG 46 Cb 1.06 -1.26 -0.07 0.00 -1.02 0.00 0.00 32.46 31.17 1wfs n ARG 46 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1wfs n GLN 47 N 0.51 -0.93 -3.89 5.56 1.13 0.29 -4.86 117.38 115.18 1wfs n GLN 47 Ca 0.11 0.07 -0.11 0.00 -1.94 0.00 0.00 57.00 55.13 1wfs n GLN 47 Cb 0.41 -2.62 -0.12 0.00 0.11 0.00 0.00 30.24 28.02 1wfs n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wfs s MET 48 N -5.97 0.21 -0.24 -1.09 0.23 -1.16 -2.68 119.30 108.59 1wfs s MET 48 Ca 0.09 -0.18 -0.29 0.00 -1.03 0.00 0.00 55.69 54.27 1wfs s MET 48 Cb -0.05 0.08 -0.00 0.00 -1.53 0.00 0.00 34.83 33.33 1wfs s MET 48 CO 0.70 -0.04 1.24 0.08 -2.03 0.00 0.00 175.02 174.98 1wfs s VAL 49 N -0.61 4.27 0.04 5.16 1.01 0.55 -2.00 120.40 128.81 1wfs s VAL 49 Ca -0.07 1.49 0.07 0.00 0.00 0.00 0.00 61.98 63.47 1wfs s VAL 49 Cb -0.04 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 1wfs s VAL 49 CO 0.00 -0.32 -0.20 0.68 0.00 0.00 0.00 175.10 175.26 1wfs s VAL 50 N 3.87 1.59 0.41 2.92 -7.23 0.15 -1.73 120.40 120.39 1wfs s VAL 50 Ca 0.54 -1.14 -0.24 0.00 -1.81 0.00 0.00 61.98 59.33 1wfs s VAL 50 Cb -0.18 -1.38 -0.11 0.00 0.56 0.00 0.00 36.38 35.26 1wfs s VAL 50 CO 0.18 0.21 0.81 -0.11 -0.31 0.00 0.00 175.10 175.87 1wfs n LEU 51 N 1.93 1.43 -0.02 1.32 7.94 -1.26 -0.87 117.00 127.46 1wfs n LEU 51 Ca -0.17 0.99 -0.03 0.00 -1.11 0.00 0.00 56.01 55.68 1wfs n LEU 51 Cb 0.53 -1.24 -0.02 0.00 0.53 0.00 0.00 43.42 43.22 1wfs n LEU 51 CO 0.23 -2.10 -0.66 1.21 -1.11 0.00 0.00 177.39 174.96 1wfs n GLU 52 N 0.33 0.12 -3.58 1.96 4.07 0.27 -4.59 120.64 119.23 1wfs n GLU 52 Ca 0.11 0.03 -0.07 0.00 -0.06 0.00 0.00 57.16 57.17 1wfs n GLU 52 Cb 0.39 -1.08 -0.02 0.00 -0.06 0.00 0.00 31.44 30.67 1wfs n GLU 52 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1wfs s ASP 53 N -4.50 -0.32 -0.17 4.31 1.01 0.62 -5.00 116.67 112.62 1wfs s ASP 53 Ca -0.07 -0.12 -0.04 0.00 0.71 0.00 0.00 52.55 53.03 1wfs s ASP 53 Cb 0.02 0.42 0.09 0.00 1.01 0.00 0.00 42.92 44.45 1wfs s ASP 53 CO 0.11 -0.72 0.29 -1.61 0.21 0.00 0.00 175.17 173.45 1wfs s GLU 54 N -3.19 0.21 -0.05 8.23 2.02 -1.26 -1.11 118.70 123.55 1wfs s GLU 54 Ca 0.07 0.63 0.04 0.00 0.02 0.00 0.00 54.97 55.73 1wfs s GLU 54 Cb -0.01 -0.32 -0.03 0.00 0.10 0.00 0.00 34.13 33.87 1wfs s GLU 54 CO -0.06 -0.42 -0.15 -0.51 0.02 0.00 0.00 175.26 174.15 1wfs s LEU 55 N 2.44 2.72 0.32 1.80 1.43 -0.42 -5.01 118.68 121.97 1wfs s LEU 55 Ca 0.04 -0.21 0.10 0.00 -1.03 0.00 0.00 54.13 53.03 1wfs s LEU 55 Cb -0.13 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1wfs s LEU 55 CO -0.11 0.34 -0.07 -1.10 0.23 0.00 0.00 176.35 175.64 1wfs s GLN 56 N -0.75 1.94 -1.36 1.70 1.11 -1.26 -0.25 119.66 120.79 1wfs s GLN 56 Ca 0.12 -1.76 -0.07 0.00 0.01 0.00 0.00 55.36 53.65 1wfs s GLN 56 Cb -0.11 -1.86 0.00 0.00 -1.01 0.00 0.00 33.01 30.04 1wfs s GLN 56 CO 0.01 0.22 0.44 0.09 0.01 0.00 0.00 175.29 176.05 1wfs n ASN 57 N -0.82 -1.38 -4.17 5.90 3.02 0.78 -4.93 115.26 113.67 1wfs n ASN 57 Ca -0.05 -1.09 -0.25 0.00 -0.03 0.00 0.00 54.58 53.17 1wfs n ASN 57 Cb 0.62 -2.72 -0.15 0.00 -0.61 0.00 0.00 39.78 36.91 1wfs n ASN 57 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1wfs s ILE 58 N -3.90 1.39 0.75 2.41 -1.16 -0.63 -4.98 121.20 115.07 1wfs s ILE 58 Ca 0.14 -0.75 -0.10 0.00 -0.51 0.00 0.00 60.65 59.43 1wfs s ILE 58 Cb -0.06 -1.16 0.06 0.00 0.61 0.00 0.00 42.46 41.92 1wfs s ILE 58 CO 0.91 0.39 1.10 -0.44 -2.81 0.00 0.00 174.94 174.10 1wfs s SER 59 N -0.39 4.75 0.00 4.50 0.01 -1.26 -4.51 113.70 116.80 1wfs s SER 59 Ca 0.06 0.69 0.15 0.00 1.31 0.00 0.00 55.95 58.17 1wfs s SER 59 Cb -0.07 -1.29 0.91 0.00 0.21 0.00 0.00 66.02 65.78 1wfs s SER 59 CO -0.01 -1.71 1.34 -0.81 0.41 0.00 0.00 173.24 172.47 1wfs n PRO 60 N -3.12 0.46 -0.09 12.44 -0.04 -1.26 -2.28 135.00 141.12 1wfs n PRO 60 Ca 0.08 0.01 -0.07 0.00 -0.04 0.00 0.00 63.50 63.47 1wfs n PRO 60 Cb 0.60 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.40 1wfs n PRO 60 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wfs n GLU 61 N -1.02 0.69 0.03 0.54 1.02 -1.26 -4.16 120.64 116.47 1wfs n GLU 61 Ca 0.11 -0.03 -0.19 0.00 -0.02 0.00 0.00 57.16 57.03 1wfs n GLU 61 Cb 0.06 -1.52 -0.13 0.00 -0.02 0.00 0.00 31.44 29.83 1wfs n GLU 61 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1wfs h GLU 62 N 0.00 0.35 -0.64 3.49 4.22 -1.82 -3.30 114.58 116.88 1wfs h GLU 62 Ca -0.48 -0.49 0.13 0.00 0.08 0.00 0.00 59.36 58.60 1wfs h GLU 62 Cb 2.09 0.17 -0.10 0.00 0.50 0.00 0.00 28.75 31.41 1wfs h GLU 62 CO 0.03 1.19 0.07 1.25 -2.18 0.00 0.00 179.01 179.36 1wfs h LEU 63 N -0.24 -0.15 -1.66 1.64 6.46 -1.76 0.29 115.31 119.89 1wfs h LEU 63 Ca -0.12 0.14 0.10 0.00 -0.12 0.00 0.00 57.88 57.89 1wfs h LEU 63 Cb 1.52 0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 41.64 1wfs h LEU 63 CO 0.14 -0.07 0.40 0.50 -0.62 0.00 0.00 178.44 178.80 1wfs h LYS 64 N 0.18 0.37 -0.03 1.25 3.64 -1.75 -0.14 116.57 120.09 1wfs h LYS 64 Ca 0.34 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.51 1wfs h LYS 64 Cb 0.55 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1wfs h LYS 64 CO -0.50 0.24 -0.81 -0.07 -2.27 0.00 0.00 179.45 176.05 1wfs h LEU 65 N 0.38 0.35 -0.88 5.20 -0.00 -0.57 -3.15 115.31 116.64 1wfs h LEU 65 Ca 0.28 -0.26 -0.12 0.00 -0.00 0.00 0.00 57.88 57.78 1wfs h LEU 65 Cb 0.59 -0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 41.13 1wfs h LEU 65 CO -0.07 1.02 -0.54 -0.33 -0.00 0.00 0.00 178.44 178.51 1wfs h GLU 66 N 0.18 0.05 -7.20 1.13 4.39 0.18 -3.44 114.58 109.87 1wfs h GLU 66 Ca -0.04 -0.03 -0.51 0.00 0.34 0.00 0.00 59.36 59.12 1wfs h GLU 66 Cb 1.40 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 30.16 1wfs h GLU 66 CO 0.13 0.58 0.38 -0.51 -1.16 0.00 0.00 179.01 178.43 1wfs s LEU 67 N -7.84 3.40 0.00 1.33 1.43 -0.50 -5.05 118.68 111.44 1wfs s LEU 67 Ca -0.02 2.00 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 1wfs s LEU 67 Cb 0.13 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.80 1wfs s LEU 67 CO 0.76 -1.62 0.00 -0.81 0.23 0.00 0.00 176.35 174.91 1wfs n PRO 68 N -2.39 -0.09 0.00 1.29 -0.04 -1.26 -4.99 135.00 127.51 1wfs n PRO 68 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1wfs n PRO 68 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1wfs n PRO 68 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wfs n GLU 69 N -0.82 2.88 -2.70 0.54 0.28 -1.26 -4.84 120.64 114.72 1wfs n GLU 69 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.96 1wfs n GLU 69 Cb 0.00 -0.70 0.11 0.00 1.43 0.00 0.00 31.44 32.28 1wfs n GLU 69 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1wfs n ARG 70 N -1.01 1.36 -3.61 3.44 -4.01 -1.26 -4.58 116.66 106.99 1wfs n ARG 70 Ca 0.00 -1.90 -0.19 0.00 -1.04 0.00 0.00 57.85 54.72 1wfs n ARG 70 Cb 0.00 -0.15 -0.15 0.00 -3.04 0.00 0.00 32.46 29.12 1wfs n ARG 70 CO 0.00 0.00 0.00 -1.14 -3.04 0.00 0.00 177.63 173.45 1wfs s GLN 71 N -0.73 0.08 0.26 2.89 0.74 -1.26 -4.24 119.66 117.40 1wfs s GLN 71 Ca 0.17 0.36 -0.29 0.00 0.05 0.00 0.00 55.36 55.65 1wfs s GLN 71 Cb 0.42 -0.77 -0.09 0.00 1.10 0.00 0.00 33.01 33.66 1wfs s GLN 71 CO -0.09 -0.46 1.26 -1.25 -0.55 0.00 0.00 175.29 174.20 1wfs s PRO 72 N 2.28 4.43 0.13 1.67 0.04 -1.26 -4.72 135.00 137.57 1wfs s PRO 72 Ca 0.04 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 62.88 1wfs s PRO 72 Cb -0.14 -3.15 0.07 0.00 0.04 0.00 0.00 34.50 31.32 1wfs s PRO 72 CO -0.08 -0.13 0.91 -0.98 0.04 0.00 0.00 177.00 176.76 1wfs s ARG 73 N -0.97 1.17 0.06 4.56 1.70 -0.47 -4.91 118.95 120.09 1wfs s ARG 73 Ca 0.51 -0.61 -0.07 0.00 -0.47 0.00 0.00 55.73 55.09 1wfs s ARG 73 Cb -0.37 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.39 1wfs s ARG 73 CO 0.44 -0.53 0.34 -0.06 -1.08 0.00 0.00 175.30 174.40 1wfs s PHE 74 N -3.32 3.56 -0.12 5.89 0.08 0.80 -1.60 117.98 123.27 1wfs s PHE 74 Ca 0.10 0.64 -0.05 0.00 0.12 0.00 0.00 56.93 57.75 1wfs s PHE 74 Cb -0.02 -2.05 0.06 0.00 -0.57 0.00 0.00 43.02 40.44 1wfs s PHE 74 CO -0.00 0.54 0.25 0.08 -0.10 0.00 0.00 175.22 175.99 1wfs s VAL 75 N -1.41 -0.30 -0.48 -0.44 1.01 -0.21 0.07 120.40 118.64 1wfs s VAL 75 Ca 0.32 0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.50 1wfs s VAL 75 Cb -0.13 -0.41 0.13 0.00 0.00 0.00 0.00 36.38 35.96 1wfs s VAL 75 CO 0.19 0.10 0.31 -0.69 0.00 0.00 0.00 175.10 175.02 1wfs s VAL 76 N 2.09 3.75 -0.02 2.92 1.01 0.96 0.12 120.40 131.23 1wfs s VAL 76 Ca -0.02 -2.16 -0.16 0.00 0.00 0.00 0.00 61.98 59.65 1wfs s VAL 76 Cb -0.12 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1wfs s VAL 76 CO -0.08 -0.77 0.43 -0.47 0.00 0.00 0.00 175.10 174.21 1wfs s TYR 77 N 0.95 3.69 -0.41 5.22 5.04 -1.14 -1.12 117.35 129.58 1wfs s TYR 77 Ca 0.09 0.98 0.02 0.00 -2.44 0.00 0.00 57.07 55.72 1wfs s TYR 77 Cb -0.23 -2.35 0.11 0.00 0.35 0.00 0.00 41.96 39.84 1wfs s TYR 77 CO -0.03 0.54 0.16 0.45 -1.34 0.00 0.00 175.55 175.33 1wfs s SER 78 N -0.73 4.85 0.63 4.32 0.15 0.94 -2.18 113.70 121.68 1wfs s SER 78 Ca 0.24 -2.34 -0.07 0.00 0.70 0.00 0.00 55.95 54.48 1wfs s SER 78 Cb -0.16 -1.70 0.02 0.00 -1.71 0.00 0.00 66.02 62.46 1wfs s SER 78 CO 0.13 -0.39 0.96 -0.47 1.20 0.00 0.00 173.24 174.67 1wfs s TYR 79 N 0.67 3.23 -0.28 3.44 6.14 -1.25 -3.01 117.35 126.29 1wfs s TYR 79 Ca 0.12 0.72 0.02 0.00 0.64 0.00 0.00 57.07 58.57 1wfs s TYR 79 Cb -0.21 -2.87 0.06 0.00 0.42 0.00 0.00 41.96 39.36 1wfs s TYR 79 CO -0.05 -0.98 -0.07 0.21 0.64 0.00 0.00 175.55 175.30 1wfs s LYS 80 N -5.11 2.17 -0.16 4.97 2.20 -1.26 -2.54 119.74 120.02 1wfs s LYS 80 Ca 0.56 -1.41 -0.07 0.00 -0.36 0.00 0.00 55.97 54.69 1wfs s LYS 80 Cb -0.11 -2.99 -0.04 0.00 -1.51 0.00 0.00 37.83 33.18 1wfs s LYS 80 CO 0.47 -0.63 0.07 -0.47 -0.36 0.00 0.00 175.35 174.42 1wfs s TYR 81 N 1.10 3.30 0.30 4.03 6.14 0.11 -4.97 117.35 127.36 1wfs s TYR 81 Ca -0.06 0.18 0.07 0.00 0.64 0.00 0.00 57.07 57.90 1wfs s TYR 81 Cb -0.20 -2.02 -0.03 0.00 0.42 0.00 0.00 41.96 40.14 1wfs s TYR 81 CO -0.05 0.31 0.30 0.54 0.64 0.00 0.00 175.55 177.29 1wfs s VAL 82 N -0.05 4.15 0.00 3.14 0.11 -1.26 -0.54 120.40 125.94 1wfs s VAL 82 Ca 0.07 -1.27 0.00 0.00 -2.93 0.00 0.00 61.98 57.85 1wfs s VAL 82 Cb -0.12 -3.38 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 1wfs s VAL 82 CO 0.01 -0.25 0.00 1.41 -3.33 0.00 0.00 175.10 172.94 1wfs n HIS 83 N -1.36 0.00 0.00 1.54 -0.00 0.13 -4.95 115.22 110.57 1wfs n HIS 83 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.68 1wfs n HIS 83 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.57 1wfs n HIS 83 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1wfs n ASP 84 N -1.40 0.00 0.12 0.41 9.92 -1.26 -4.94 116.55 119.40 1wfs n ASP 84 Ca 0.00 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.33 1wfs n ASP 84 Cb 0.00 0.00 0.39 0.00 -0.64 0.00 0.00 41.12 40.87 1wfs n ASP 84 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1wfs n ASP 85 N 0.00 0.37 0.00 -2.24 -0.08 -1.26 -4.66 116.55 108.68 1wfs n ASP 85 Ca 0.00 0.65 0.00 0.00 -1.51 0.00 0.00 54.79 53.93 1wfs n ASP 85 Cb 0.00 -0.68 0.00 0.00 2.34 0.00 0.00 41.12 42.78 1wfs n ASP 85 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wfs n GLY 86 N -1.34 1.68 3.33 0.27 0.00 -1.26 -5.14 105.19 102.74 1wfs n GLY 86 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1wfs n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfs s ARG 87 N 0.00 2.87 -0.05 1.61 1.81 -1.26 -5.03 118.95 118.89 1wfs s ARG 87 Ca 0.00 -0.80 -0.02 0.00 -1.72 0.00 0.00 55.73 53.19 1wfs s ARG 87 Cb 0.00 -2.36 0.04 0.00 -0.45 0.00 0.00 34.95 32.17 1wfs s ARG 87 CO 0.00 0.35 0.09 0.54 -0.68 0.00 0.00 175.30 175.60 1wfs s VAL 88 N -0.04 -0.15 0.25 3.52 0.11 -1.26 0.18 120.40 123.01 1wfs s VAL 88 Ca -0.05 0.38 0.11 0.00 -2.93 0.00 0.00 61.98 59.48 1wfs s VAL 88 Cb -0.14 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.46 1wfs s VAL 88 CO 0.05 0.16 -0.16 -0.44 -3.33 0.00 0.00 175.10 171.37 1wfs s SER 89 N 2.07 3.81 -0.59 3.54 0.01 0.30 -4.95 113.70 117.89 1wfs s SER 89 Ca 0.03 -0.87 -0.08 0.00 1.31 0.00 0.00 55.95 56.33 1wfs s SER 89 Cb -0.12 -0.44 0.15 0.00 0.21 0.00 0.00 66.02 65.82 1wfs s SER 89 CO -0.04 0.06 0.46 -0.31 0.41 0.00 0.00 173.24 173.82 1wfs s TYR 90 N -2.19 3.49 -0.70 2.43 2.02 -1.26 0.10 117.35 121.23 1wfs s TYR 90 Ca 0.28 -2.13 -0.26 0.00 -0.37 0.00 0.00 57.07 54.58 1wfs s TYR 90 Cb -0.06 -3.49 -0.03 0.00 -0.40 0.00 0.00 41.96 37.98 1wfs s TYR 90 CO 0.15 -0.95 1.89 -1.25 -1.57 0.00 0.00 175.55 173.81 1wfs s PRO 91 N 0.71 2.60 0.08 -1.71 0.04 -1.05 -4.81 135.00 130.86 1wfs s PRO 91 Ca 0.11 0.33 -0.31 0.00 0.04 0.00 0.00 61.00 61.17 1wfs s PRO 91 Cb -0.21 -4.60 -0.07 0.00 0.04 0.00 0.00 34.50 29.66 1wfs s PRO 91 CO -0.03 -2.93 1.27 -0.51 0.04 0.00 0.00 177.00 174.83 1wfs s LEU 92 N 9.39 4.37 0.23 -3.56 1.02 -1.26 -3.84 118.68 125.02 1wfs s LEU 92 Ca 0.68 2.13 0.05 0.00 0.02 0.00 0.00 54.13 57.02 1wfs s LEU 92 Cb -0.11 -3.58 -0.05 0.00 0.02 0.00 0.00 46.19 42.47 1wfs s LEU 92 CO 0.14 -0.53 -0.06 0.00 0.02 0.00 0.00 176.35 175.91 1wfs s PHE 94 N -3.20 3.34 -0.45 0.00 5.36 -0.05 -2.88 117.98 120.09 1wfs s PHE 94 Ca 0.26 -1.52 -0.20 0.00 -0.96 0.00 0.00 56.93 54.51 1wfs s PHE 94 Cb 0.03 -2.96 0.03 0.00 -0.34 0.00 0.00 43.02 39.78 1wfs s PHE 94 CO 0.08 -0.85 0.60 0.42 -1.46 0.00 0.00 175.22 174.02 1wfs s ILE 95 N 1.43 4.88 -0.51 3.12 1.01 0.32 -0.93 121.20 130.52 1wfs s ILE 95 Ca 0.03 -0.13 -0.22 0.00 0.00 0.00 0.00 60.65 60.33 1wfs s ILE 95 Cb -0.23 -4.21 0.04 0.00 0.01 0.00 0.00 42.46 38.08 1wfs s ILE 95 CO 0.02 -0.63 0.81 0.12 0.00 0.00 0.00 174.94 175.26 1wfs s PHE 96 N 2.66 2.92 -0.73 3.97 5.36 -0.88 -1.04 117.98 130.24 1wfs s PHE 96 Ca 0.19 -0.12 -0.27 0.00 -0.96 0.00 0.00 56.93 55.77 1wfs s PHE 96 Cb -0.16 -3.80 0.02 0.00 -0.34 0.00 0.00 43.02 38.74 1wfs s PHE 96 CO 0.16 -1.16 1.35 0.45 -1.46 0.00 0.00 175.22 174.56 1wfs s SER 97 N 2.60 6.06 -0.36 6.13 0.15 -0.63 -2.85 113.70 124.80 1wfs s SER 97 Ca 0.26 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1wfs s SER 97 Cb -0.14 -2.56 0.12 0.00 -1.71 0.00 0.00 66.02 61.73 1wfs s SER 97 CO 0.18 -1.90 0.18 -0.94 1.20 0.00 0.00 173.24 171.96 1wfs s SER 98 N 4.26 3.58 1.17 5.45 1.04 -1.22 -1.37 113.70 126.60 1wfs s SER 98 Ca 0.39 -2.09 -0.18 0.00 0.48 0.00 0.00 55.95 54.55 1wfs s SER 98 Cb -0.08 -0.75 0.27 0.00 0.10 0.00 0.00 66.02 65.55 1wfs s SER 98 CO 0.15 -0.34 1.11 -2.16 0.98 0.00 0.00 173.24 172.98 1wfs s PRO 99 N 1.08 -0.97 0.00 4.02 0.04 -1.26 -4.32 135.00 133.59 1wfs s PRO 99 Ca 0.15 0.02 0.17 0.00 0.04 0.00 0.00 61.00 61.38 1wfs s PRO 99 Cb -0.21 -1.62 0.44 0.00 0.04 0.00 0.00 34.50 33.15 1wfs s PRO 99 CO -0.11 -3.56 1.36 1.55 0.04 0.00 0.00 177.00 176.28 1wfs n VAL 100 N -4.67 0.90 0.22 -0.36 3.14 -1.26 -4.30 118.33 112.00 1wfs n VAL 100 Ca 0.12 -0.95 0.04 0.00 -2.96 0.00 0.00 64.34 60.59 1wfs n VAL 100 Cb 0.59 0.59 0.05 0.00 -1.06 0.00 0.00 33.84 34.01 1wfs n VAL 100 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1wfs n GLY 101 N 1.06 0.17 3.93 7.55 0.00 -1.26 -5.03 105.19 111.62 1wfs n GLY 101 Ca 0.17 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 1wfs n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfs s LYS 103 N -5.61 3.80 0.19 0.00 1.02 -1.26 -4.98 119.74 112.90 1wfs s LYS 103 Ca 0.68 0.24 0.21 0.00 0.02 0.00 0.00 55.97 57.12 1wfs s LYS 103 Cb -0.07 -2.81 0.89 0.00 -0.52 0.00 0.00 37.83 35.32 1wfs s LYS 103 CO 0.50 0.43 1.65 -0.35 -0.92 0.00 0.00 175.35 176.65 1wfs n PRO 104 N 0.31 0.14 0.07 -1.68 -0.04 -1.26 -1.98 135.00 130.56 1wfs n PRO 104 Ca -0.03 0.38 -0.13 0.00 -0.04 0.00 0.00 63.50 63.69 1wfs n PRO 104 Cb 0.52 -1.78 -0.04 0.00 -0.04 0.00 0.00 33.50 32.16 1wfs n PRO 104 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1wfs h GLU 105 N 0.00 0.39 0.00 0.54 4.22 -2.01 -3.26 114.58 114.46 1wfs h GLU 105 Ca 0.00 -0.42 -0.07 0.00 0.08 0.00 0.00 59.36 58.95 1wfs h GLU 105 Cb 0.33 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1wfs h GLU 105 CO 0.00 1.09 -0.74 1.96 -2.18 0.00 0.00 179.01 179.13 1wfs h GLN 106 N 0.23 0.00 -0.79 1.92 1.08 -1.92 -3.36 115.11 112.26 1wfs h GLN 106 Ca -0.07 0.00 0.31 0.00 -1.45 0.00 0.00 58.65 57.44 1wfs h GLN 106 Cb 1.55 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.84 1wfs h GLN 106 CO 0.16 0.32 0.34 0.94 -0.95 0.00 0.00 178.83 179.64 1wfs n GLN 107 N -4.56 -0.05 -0.16 1.46 0.00 -0.84 0.24 117.38 113.47 1wfs n GLN 107 Ca -0.15 1.12 -0.08 0.00 -0.00 0.00 0.00 57.00 57.88 1wfs n GLN 107 Cb 0.39 -1.95 0.01 0.00 0.00 0.00 0.00 30.24 28.69 1wfs n GLN 107 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 1wfs h MET 108 N 0.00 0.68 -0.97 3.69 2.86 -1.74 0.43 114.93 119.88 1wfs h MET 108 Ca 0.64 -0.10 0.21 0.00 -2.06 0.00 0.00 59.70 58.38 1wfs h MET 108 Cb 1.62 -0.12 -0.09 0.00 0.06 0.00 0.00 31.60 33.08 1wfs h MET 108 CO -0.64 0.58 0.62 0.52 1.06 0.00 0.00 176.91 179.05 1wfs h MET 109 N 0.62 0.54 0.05 1.72 2.86 0.29 0.51 114.93 121.51 1wfs h MET 109 Ca 0.16 -0.03 -0.31 0.00 -2.06 0.00 0.00 59.70 57.46 1wfs h MET 109 Cb 0.13 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 1wfs h MET 109 CO -0.02 0.36 -1.76 1.88 1.06 0.00 0.00 176.91 178.43 1wfs h TYR 110 N 0.55 0.18 0.00 -0.22 -1.99 -1.23 -2.97 116.97 111.28 1wfs h TYR 110 Ca 0.53 -0.13 -0.07 0.00 2.00 0.00 0.00 58.73 61.07 1wfs h TYR 110 Cb 1.11 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.83 1wfs h TYR 110 CO -0.00 1.26 -0.31 0.00 -0.00 0.00 0.00 178.16 179.11 1wfs h ALA 111 N 0.69 1.25 0.00 3.88 0.00 0.12 0.57 119.26 125.77 1wfs h ALA 111 Ca -0.32 -0.29 -0.26 0.00 0.00 0.00 0.00 54.91 54.05 1wfs h ALA 111 Cb 2.01 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.71 1wfs h ALA 111 CO 0.09 0.39 -1.72 0.41 0.00 0.00 0.00 179.25 178.43 1wfs n GLY 112 N -0.32 -1.06 0.00 0.00 0.00 0.17 -4.10 105.19 99.87 1wfs n GLY 112 Ca -0.01 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1wfs n GLY 112 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfs n SER 113 N -2.94 0.75 0.00 1.61 7.64 -1.12 -4.42 113.62 115.14 1wfs n SER 113 Ca -0.16 -0.62 -0.13 0.00 1.01 0.00 0.00 58.87 58.97 1wfs n SER 113 Cb 0.99 0.69 -0.07 0.00 -1.01 0.00 0.00 64.21 64.81 1wfs n SER 113 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1wfs h LYS 114 N 0.00 -0.51 -0.97 1.43 3.64 0.01 0.17 116.57 120.34 1wfs h LYS 114 Ca 0.00 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.56 1wfs h LYS 114 Cb 0.53 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 32.37 1wfs h LYS 114 CO 0.00 -0.34 0.59 -0.91 -2.27 0.00 0.00 179.45 176.52 1wfs h ASN 115 N -0.53 0.82 0.45 4.20 2.35 -1.82 0.18 115.58 121.24 1wfs h ASN 115 Ca 0.06 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1wfs h ASN 115 Cb 0.65 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1wfs h ASN 115 CO -0.41 0.38 -0.22 -0.09 -1.65 0.00 0.00 177.43 175.45 1wfs h ARG 116 N 0.86 -0.59 -0.42 0.81 9.65 -1.39 0.22 114.38 123.52 1wfs h ARG 116 Ca 0.51 0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.46 1wfs h ARG 116 Cb 0.64 0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.32 1wfs h ARG 116 CO -0.32 -0.32 0.22 1.25 2.80 0.00 0.00 179.97 183.61 1wfs h LEU 117 N -0.76 0.34 0.35 3.80 7.12 -0.15 -1.66 115.31 124.35 1wfs h LEU 117 Ca -0.06 0.02 -0.02 0.00 0.13 0.00 0.00 57.88 57.95 1wfs h LEU 117 Cb 0.54 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.62 1wfs h LEU 117 CO 0.10 0.24 -0.17 0.58 -0.13 0.00 0.00 178.44 179.06 1wfs h VAL 118 N 0.45 0.66 -0.78 1.05 2.07 -0.63 -2.47 116.25 116.60 1wfs h VAL 118 Ca 0.18 -0.17 0.22 0.00 0.82 0.00 0.00 66.70 67.74 1wfs h VAL 118 Cb 0.07 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1wfs h VAL 118 CO -0.11 0.04 0.56 1.56 0.02 0.00 0.00 177.57 179.63 1wfs h GLN 119 N -0.57 0.07 -0.26 1.57 1.08 -0.39 0.41 115.11 117.02 1wfs h GLN 119 Ca -0.05 -0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.06 1wfs h GLN 119 Cb 0.42 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1wfs h GLN 119 CO 0.08 0.05 -0.19 1.15 -0.95 0.00 0.00 178.83 178.96 1wfs h THR 120 N 0.07 1.31 0.00 -0.54 2.02 -0.87 -2.88 112.91 112.03 1wfs h THR 120 Ca 0.38 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1wfs h THR 120 Cb 1.40 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 1wfs h THR 120 CO -0.03 0.42 0.00 0.00 0.37 0.00 0.00 175.52 176.27 1wfs n ALA 121 N -2.45 2.02 -3.16 6.16 0.00 -0.02 -4.86 120.51 118.19 1wfs n ALA 121 Ca -0.04 -0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.25 1wfs n ALA 121 Cb 0.40 -1.41 0.07 0.00 0.00 0.00 0.00 19.45 18.52 1wfs n ALA 121 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wfs n GLU 122 N -1.97 -4.74 -3.49 0.00 0.00 -0.29 -4.85 120.64 105.30 1wfs n GLU 122 Ca 0.05 0.73 -0.42 0.00 0.00 0.00 0.00 57.16 57.51 1wfs n GLU 122 Cb 0.31 -5.32 -0.10 0.00 0.00 0.00 0.00 31.44 26.33 1wfs n GLU 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1wfs s LEU 123 N -5.54 4.90 0.23 4.31 1.43 -1.21 -4.93 118.68 117.86 1wfs s LEU 123 Ca 0.09 -0.77 0.25 0.00 -1.03 0.00 0.00 54.13 52.67 1wfs s LEU 123 Cb -0.01 -2.14 0.91 0.00 0.03 0.00 0.00 46.19 44.97 1wfs s LEU 123 CO 0.62 -0.38 1.74 1.07 0.23 0.00 0.00 176.35 179.63 1wfs n THR 124 N 5.13 0.71 -3.93 5.49 5.66 -1.26 -4.58 114.28 121.49 1wfs n THR 124 Ca -0.12 -0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.53 1wfs n THR 124 Cb 0.48 -0.89 -0.14 0.00 -1.55 0.00 0.00 70.33 68.23 1wfs n THR 124 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1wfs s LYS 125 N -3.21 3.03 -0.07 1.09 1.02 -1.26 -5.09 119.74 115.24 1wfs s LYS 125 Ca 0.07 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 55.21 1wfs s LYS 125 Cb 0.11 -3.02 0.02 0.00 -0.52 0.00 0.00 37.83 34.42 1wfs s LYS 125 CO 0.48 -0.34 -0.07 0.08 -0.92 0.00 0.00 175.35 174.58 1wfs s VAL 126 N 1.39 0.82 0.17 3.17 1.01 -1.26 -0.87 120.40 124.83 1wfs s VAL 126 Ca 0.02 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 61.85 1wfs s VAL 126 Cb -0.16 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1wfs s VAL 126 CO -0.04 0.30 -0.19 -0.36 0.00 0.00 0.00 175.10 174.82 1wfs s PHE 127 N 1.17 1.90 -0.18 5.22 0.08 -0.10 -4.94 117.98 121.13 1wfs s PHE 127 Ca -0.06 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.55 1wfs s PHE 127 Cb -0.14 -0.94 0.03 0.00 -0.57 0.00 0.00 43.02 41.40 1wfs s PHE 127 CO -0.02 0.37 -0.14 -2.00 -0.10 0.00 0.00 175.22 173.33 1wfs s GLU 128 N -2.83 2.40 -0.27 0.44 -6.30 -1.26 -2.08 118.70 108.79 1wfs s GLU 128 Ca 0.17 -0.75 -0.15 0.00 -2.50 0.00 0.00 54.97 51.75 1wfs s GLU 128 Cb -0.06 -2.35 -0.04 0.00 0.00 0.00 0.00 34.13 31.69 1wfs s GLU 128 CO 0.07 -0.30 0.37 0.96 0.02 0.00 0.00 175.26 176.38 1wfs s ILE 129 N 1.39 5.18 -1.15 -3.70 -4.36 -1.13 -4.93 121.20 112.49 1wfs s ILE 129 Ca 0.03 0.56 0.11 0.00 -0.26 0.00 0.00 60.65 61.08 1wfs s ILE 129 Cb -0.14 -3.69 0.12 0.00 1.25 0.00 0.00 42.46 40.00 1wfs s ILE 129 CO -0.10 0.16 1.30 -1.14 0.24 0.00 0.00 174.94 175.40 1wfs n ARG 130 N 5.31 0.06 0.00 0.37 3.00 -1.26 -3.44 116.66 120.69 1wfs n ARG 130 Ca -0.09 0.27 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 1wfs n ARG 130 Cb 0.51 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.47 1wfs n ARG 130 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1wfs n THR 131 N -1.42 0.00 -0.26 5.15 5.66 -1.26 -4.02 114.28 118.13 1wfs n THR 131 Ca 0.03 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.07 1wfs n THR 131 Cb 0.11 0.00 0.14 0.00 -1.55 0.00 0.00 70.33 69.02 1wfs n THR 131 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 1wfs h THR 132 N 0.07 0.30 -1.00 1.09 1.35 -1.88 0.22 112.91 113.06 1wfs h THR 132 Ca 0.00 -0.02 0.38 0.00 -0.55 0.00 0.00 66.41 66.21 1wfs h THR 132 Cb 0.00 0.24 -0.17 0.00 -1.73 0.00 0.00 68.15 66.49 1wfs h THR 132 CO 0.00 0.01 0.49 0.44 -0.25 0.00 0.00 175.52 176.21 1wfs h ASP 133 N 0.06 0.29 -0.86 5.36 3.32 -1.96 1.01 116.42 123.65 1wfs h ASP 133 Ca 0.40 0.24 0.08 0.00 0.02 0.00 0.00 57.03 57.77 1wfs h ASP 133 Cb 0.67 0.25 -0.07 0.00 0.22 0.00 0.00 39.33 40.41 1wfs h ASP 133 CO -0.71 -0.34 0.52 -0.78 -1.72 0.00 0.00 179.24 176.21 1wfs h ASP 134 N 0.09 0.78 -0.25 6.45 1.82 -0.97 -3.36 116.42 120.99 1wfs h ASP 134 Ca 0.79 0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 57.41 1wfs h ASP 134 Cb 1.97 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 41.85 1wfs h ASP 134 CO -0.74 0.48 0.13 -0.22 -1.61 0.00 0.00 179.24 177.28 1wfs s LEU 135 N -10.23 2.63 0.08 2.28 2.96 0.35 -4.57 118.68 112.18 1wfs s LEU 135 Ca -0.12 -0.59 0.07 0.00 -0.22 0.00 0.00 54.13 53.27 1wfs s LEU 135 Cb 0.19 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 1wfs s LEU 135 CO 0.79 -4.24 -0.19 0.42 -1.32 0.00 0.00 176.35 171.80 1wfs s THR 136 N 15.54 1.57 0.37 3.68 -4.23 -1.26 -4.58 115.64 126.73 1wfs s THR 136 Ca 0.85 -1.41 0.21 0.00 -1.18 0.00 0.00 61.69 60.16 1wfs s THR 136 Cb -0.08 -1.42 0.35 0.00 1.34 0.00 0.00 72.50 72.69 1wfs s THR 136 CO 0.13 -0.04 1.54 1.21 -0.54 0.00 0.00 174.62 176.92 1wfs n GLU 137 N 1.30 -0.06 0.03 3.99 2.13 -1.26 -0.57 120.64 126.21 1wfs n GLU 137 Ca -0.19 1.33 -0.02 0.00 0.66 0.00 0.00 57.16 58.94 1wfs n GLU 137 Cb 0.54 -2.42 -0.01 0.00 0.27 0.00 0.00 31.44 29.82 1wfs n GLU 137 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1wfs h THR 138 N 0.00 0.00 -0.75 6.31 2.02 -1.95 -2.21 112.91 116.33 1wfs h THR 138 Ca 0.83 -0.41 0.22 0.00 0.77 0.00 0.00 66.41 67.82 1wfs h THR 138 Cb 2.24 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.62 1wfs h THR 138 CO -0.72 0.00 1.03 -0.25 0.37 0.00 0.00 175.52 175.94 1wfs h TRP 139 N -0.54 0.00 0.00 3.16 7.01 -1.50 0.45 115.95 124.52 1wfs h TRP 139 Ca -0.01 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 1wfs h TRP 139 Cb 0.10 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.16 1wfs h TRP 139 CO 0.02 0.00 -0.23 1.25 -2.79 0.00 0.00 178.44 176.69 1wfs h LEU 140 N 0.00 0.00 -2.86 0.65 7.12 -0.89 -3.29 115.31 116.05 1wfs h LEU 140 Ca 0.36 -0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.32 1wfs h LEU 140 Cb 2.41 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 42.53 1wfs h LEU 140 CO -0.00 0.64 0.03 0.11 -0.13 0.00 0.00 178.44 179.09 1wfs h LYS 141 N -1.00 0.00 -0.18 1.25 1.57 -0.26 -1.86 116.57 116.09 1wfs h LYS 141 Ca -0.01 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1wfs h LYS 141 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1wfs h LYS 141 CO -0.01 0.00 -0.16 0.93 -0.57 0.00 0.00 179.45 179.64 1wfs h GLU 142 N 0.00 0.43 -0.38 3.15 5.08 -0.36 -0.13 114.58 122.37 1wfs h GLU 142 Ca 0.00 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 1wfs h GLU 142 Cb 0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1wfs h GLU 142 CO -0.00 0.78 -0.06 0.87 -1.00 0.00 0.00 179.01 179.61 1wfs h LYS 143 N 0.09 0.63 0.12 2.33 1.79 -1.40 -3.17 116.57 116.96 1wfs h LYS 143 Ca 0.03 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 1wfs h LYS 143 Cb 0.69 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1wfs h LYS 143 CO 0.04 0.69 -0.06 -0.07 -1.08 0.00 0.00 179.45 178.97 1wfs h LEU 144 N 0.59 -0.14 0.00 2.94 3.38 -1.46 -3.22 115.31 117.39 1wfs h LEU 144 Ca 0.11 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1wfs h LEU 144 Cb 0.45 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1wfs h LEU 144 CO 0.02 0.43 0.00 0.00 0.09 0.00 0.00 178.44 178.98 1wfs n ALA 145 N -2.52 0.00 -2.69 1.53 0.00 -0.07 -4.61 120.51 112.15 1wfs n ALA 145 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.32 1wfs n ALA 145 Cb 0.28 0.39 0.04 0.00 0.00 0.00 0.00 19.45 20.16 1wfs n ALA 145 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wfs n SER 146 N -2.41 -1.85 -1.56 0.00 2.88 -1.20 -5.11 113.62 104.37 1wfs n SER 146 Ca 0.00 -1.72 0.00 0.00 -1.33 0.00 0.00 58.87 55.82 1wfs n SER 146 Cb 0.00 0.99 0.00 0.00 -0.75 0.00 0.00 64.21 64.45 1wfs n SER 146 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfs n GLY 147 N 2.23 -4.31 0.00 0.46 0.00 -1.22 -4.98 105.19 97.39 1wfs n GLY 147 Ca 0.09 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1wfs n GLY 147 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfs n PRO 148 N -1.85 -0.76 -3.57 1.61 -0.04 -1.26 -4.68 135.00 124.46 1wfs n PRO 148 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1wfs n PRO 148 Cb 0.27 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.62 1wfs n PRO 148 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wfs s SER 149 N -1.51 5.85 0.48 3.54 0.01 -1.26 -4.98 113.70 115.83 1wfs s SER 149 Ca 0.00 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1wfs s SER 149 Cb 0.00 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1wfs s SER 149 CO 0.00 -0.32 0.00 -1.20 0.41 0.00 0.00 173.24 172.13 1wfs n SER 150 N 5.06 -7.65 0.00 2.44 7.64 -1.26 -5.25 113.62 114.59 1wfs n SER 150 Ca -0.12 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.82 1wfs n SER 150 Cb 0.48 -4.51 0.00 0.00 -1.01 0.00 0.00 64.21 59.17 1wfs n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64